3-[[(2S)-6-bromanyl-2-phenyl-4H-1,3-benzodioxin-8-yl]methylsulfanyl]-4-phenyl-1,2,4-triazole

Systemtic Name: 3-[[(2S)-6-bromanyl-2-phenyl-4H-1,3-benzodioxin-8-yl]methylsulfanyl]-4-phenyl-1,2,4-triazole Openeye Name: 3-[[(2S)-6-bromo-2-phenyl-4H-1,3-benzodioxin-8-yl]methylsulfanyl]-4-phenyl-1,2,4-triazole CAS Name: 3-[[(2S)-6-bromo-2-phenyl-4H-1,3-benzodioxin-8-yl]methylthio]-4-phenyl-1,2,4-triazole IUPAC Name: 3-[[(2S)-6-bromo-2-phenyl-4H-1,3-benzodioxin-8-yl]methylsulfanyl]-4-phenyl-1,2,4-triazole Traditional Name: 3-[[(2S)-6-bromo-2-phenyl-4H-1,3-benzodioxin-8-yl]methylthio]-4-phenyl-1,2,4-triazole Formula: C23H18BrN3O2S MolecularWeight: 480.37692

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC(=CC(=C2OC(O1)C3=CC=CC=C3)CSC4=NN=CN4C5=CC=CC=C5)Br

Isomeric SMILES

C1C2=CC(=CC(=C2O[C@H](O1)C3=CC=CC=C3)CSC4=NN=CN4C5=CC=CC=C5)Br

InChI

InChI=1S/C23H18BrN3O2S/c24-19-11-17-13-28-22(16-7-3-1-4-8-16)29-21(17)18(12-19)14-30-23-26-25-15-27(23)20-9-5-2-6-10-20/h1-12,15,22H,13-14H2/t22-/m0/s1